SCHEMBL3601642

SCHEMBL3601642

O=C(O)c1cc2c(ccc3ccccc32)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 5/20 1.00
LMNA P02545 2/20 1.00
HPGD P15428 6/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
USP2 O75604 1/20 0.63
SRD5A2 P31213 3/20 0.61
MAPT P10636 2/20 0.61
DAO P14920 1/20 0.61
CYP2C19 P33261 2/20 0.60
GLA P06280 2/20 0.60
CYP1A2 P05177 2/20 0.60
GRIN1 Q05586 2/20 0.60
GRIN2D O15399 1/20 0.60
GRIN3B O60391 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
AHR P35869 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12428146 0.85 HSD17B10 (0.74) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL4459257 0.85 HSD17B10 (0.73) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL14740027 0.85 ALDH1A1 (0.73) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL29403077 0.85 ALDH1A1 (0.73) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL11739115 0.83 ALDH1A1 (0.71) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL14739105 0.82 LMNA (0.68) HSD17B10KDM4EALDH1A1LMNAMAPT
SCHEMBL30093765 0.82 LMNA (0.68) HSD17B10KDM4EALDH1A1LMNAMAPT
SCHEMBL5567512 0.81 KDM4E (0.68) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL7342194 0.79 ALDH1A1 (0.65) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL30116222 0.79 KDM4E (0.64) HSD17B10KDM4EALDH1A1LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US claimed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed
EP-4340897-A1 METHODS AND COMPOSITIONS FOR TREATING PANCREATIC AND HEPATIC DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340896-A1 METHODS AND COMPOSITIONS FOR TREATING OCULAR NEOVASCULAR DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340836-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL CONDITIONS METANOIA BIO INC. (US) 2024-03-27 EP disclosed
EP-4340835-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIOVASCULAR DISEASE METANOIA BIO INC. (US) 2024-03-27 EP disclosed
US-20230312728-A1 Methods and Compositions for Diabetes Treatment and Beta-Cell Regeneration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 US disclosed
CN-116615241-A Methods and compositions for diabetes treatment and beta cell regeneration 加利福尼亚大学董事会 2023-08-18 CN disclosed
EP-4200016-A1 METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND BETA-CELL REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-28 EP disclosed
US-20030050325-A1 Novel compounds of the indolecarboxylic family and use thereof BERNARD BRUNO (FR) 2003-03-13 US disclosed
US-6448285-B1 DISORDERS ASSOCIATED WITH OVERACTIVITY OF 5 ALPHA REDUCTASE; ANDROGEN DEPENDENT DISORDERS SUCH AS SEBORRHOEA, ACNE, HIRSUTISM AND/OR ANDROGENIC ALOPECIA SOCIETE L'OREAL S.A. (FR) 2002-09-10 US disclosed
US-5563142-A INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1996-10-08 US disclosed
EP-0507861-B1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS UPJOHN CO (US) 1996-09-11 EP disclosed
US-5489593-A Anti-aids piperazines THE UPJOHN COMPANY (US) 1996-02-06 US disclosed
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed
US-4060626-A Indole-carboxylic carbon compounds and pharmaceutical compositions containing them BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-11-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 HSD17B10 1110/4885KDM4E 2857/4885ALDH1A1 198/4885
US-20030050325-A1 Novel compounds of the indolecarboxylic family and use thereof CYP17A1, SRD5A1, SRD5A2 HSD17B10 20/4885KDM4E 1203/4885ALDH1A1 298/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 HSD17B10 1110/4885KDM4E 2857/4885ALDH1A1 198/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.